%chk=000028919.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028919

0 1
 O   -4.483500      -1.742300      0.9761000    
 O    1.491900       1.851800      0.7658000    
 O   -1.955700       1.229400      -2.054800    
 O  -0.5580000       2.856300      0.6633000    
 N   -2.678500      0.1104000     -0.1514000    
 N    4.887300      -2.386900     -0.5463000    
 C   -4.066200      3.9700001E-02 -0.6130000    
 C   -2.491800     -0.3811000       1.220300    
 C   -4.622900      -1.360800     -0.3951000    
 C   -3.107900      -1.766600       1.367400    
 C   -1.723400      0.7249000     -0.9546000    
 C  -0.3342000      0.7817000     -0.4589000    
 C    1.840000     -0.2812000     -0.3474000    
 C   0.4545000     -0.2476000     -0.7894000    
 C    2.327000      0.7712000      0.4213000    
 C   0.1623000       1.912000      0.3577000    
 C    2.699100      -1.335000     -0.6691000    
 C    3.643700      0.7996000      0.8764000    
 C    4.022700      -1.320400     -0.2196000    
 C    4.493500     -0.2553000      0.5516000    
 H   -4.148900      0.3213000      -1.667000    
 H   -4.630500      0.7696000     -2.0600000E-02
 H   -3.001800      0.3331000       1.877400    
 H   -1.436700     -0.4033000       1.501300    
 H   -5.688200      -1.385200     -0.6442000    
 H   -4.112600      -2.096700      -1.027700    
 H   -2.573200      -2.507900      0.7615000    
 H   -3.061400      -2.089800       2.411900    
 H   9.0200000E-02  -1.077100      -1.388000    
 H    2.340100      -2.168600      -1.269200    
 H    4.008000       1.628400       1.475600    
 H    5.521700     -0.2383000      0.9040000    
 H    5.845500      -2.378600     -0.2231000    
 H    4.549600      -3.159200      -1.105100    


%chk=000028919-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028919

0 1
O -5.057827 -1.164546 1.130498
O 1.360494 1.294576 1.108960
O -1.757472 0.047698 -2.268240
O -0.806629 2.055486 1.134277
N -2.777898 0.021562 -0.174411
N 5.518680 -1.908071 -0.939491
C -4.128783 0.130792 -0.771811
C -2.775885 -0.162397 1.292113
C -5.002124 -1.059529 -0.339610
C -3.701598 -1.340836 1.668231
C -1.665148 0.087973 -0.994806
C -0.293094 0.189164 -0.361042
C 2.090004 -0.480265 -0.434820
C 0.726312 -0.580679 -0.894724
C 2.368946 0.473824 0.586750
C -0.009987 1.226633 0.646085
C 3.149996 -1.277429 -0.946072
C 3.673962 0.628017 1.096037
C 4.467539 -1.134476 -0.448355
C 4.710075 -0.168375 0.584570
H -4.011941 0.165161 -1.867730
H -4.591979 1.074843 -0.422507
H -3.115499 0.768875 1.781969
H -1.755662 -0.379910 1.646481
H -6.045981 -0.921101 -0.664657
H -4.600585 -2.002844 -0.768896
H -3.269855 -2.294250 1.290203
H -3.822088 -1.400087 2.762544
H 0.477708 -1.276623 -1.704451
H 2.933237 -2.006579 -1.736113
H 3.859497 1.368507 1.879105
H 5.726157 -0.048472 0.978780
H 6.462244 -1.791826 -0.582816
H 5.366883 -2.587315 -1.678951


